Uploads by Kl1713
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 16:09, 8 March 2016 | EnergyQHMDKL1713MgO.png (file) |  |
24 KB | 1 | |
| 16:08, 8 March 2016 | VolQHMDKL1713MgO.png (file) |  |
19 KB | 1 | |
| 16:36, 7 March 2016 | QHALatticevol KL1713MgO.png (file) |  |
12 KB | 1 | |
| 16:36, 7 March 2016 | QHALatticeconstKL1713MgO.png (file) |  |
14 KB | 1 | |
| 16:36, 7 March 2016 | QHAFreeenergy KL1713MgO.png (file) |  |
11 KB | 1 | |
| 14:32, 6 March 2016 | MgO Phonon Dispersion Curve KL.png (file) |  |
39 KB | 3 | |
| 14:26, 6 March 2016 | MgO Phonon DOS 25 KL.png (file) |  |
19 KB | 2 | |
| 14:25, 6 March 2016 | MgO Phonon DOS 15 KL.png (file) |  |
21 KB | 2 | |
| 14:24, 6 March 2016 | MgO Phonon DOS 14 KL.png (file) |  |
21 KB | 2 | |
| 14:23, 6 March 2016 | MgO Phonon DOS 1 KL.png (file) |  |
23 KB | 2 | |
| 11:44, 6 March 2016 | Primitive cell MgO KL1.png (file) |  |
165 KB | 1 | |
| 11:44, 6 March 2016 | Conventional cell MgO KL1.png (file) |  |
340 KB | 1 | |
| 02:19, 23 October 2015 | HEXADIENE OPT.LOG (file) |  |
174 KB | 2 | |
| 00:54, 23 October 2015 | React anti2 opt+freq 321G.log (file) | |
243 KB | 1 | |
| 00:52, 23 October 2015 | GAUCHE HF321-G OPT.LOG (file) | |
233 KB | 3 | |
| 00:50, 23 October 2015 | OPT ENDO AM1SEMI.LOG (file) | |
783 KB | 1 | |
| 00:50, 23 October 2015 | OPTFREQ QST2 TSGUESS AM1SEMI.LOG (file) | |
2.98 MB | 1 | |
| 00:49, 23 October 2015 | AM1SEMI OPTFREQ ENDO PRODUCT4.LOG (file) | |
601 KB | 1 | |
| 00:48, 23 October 2015 | OPT EXO AM1SEMI.LOG (file) | |
295 KB | 1 | |
| 00:47, 23 October 2015 | Optfreq maleicanhydride semiam1.log (file) | |
163 KB | 1 | |
| 00:46, 23 October 2015 | Optfreq cyclohexa am1semi.log (file) | |
258 KB | 1 | |
| 00:44, 23 October 2015 | IRC TS SEMIAM1.LOG (file) | |
880 KB | 1 | |
| 00:44, 23 October 2015 | DA TSBERNY ONCE SEMIAM1 GUESS.LOG (file) | |
853 KB | 1 | |
| 00:43, 23 October 2015 | OPT ETHENE AM1SEMI.LOG (file) | |
71 KB | 1 | |
| 00:42, 23 October 2015 | CISBUTADIENE SEMIAM1 OPT.LOG (file) | |
133 KB | 1 | |
| 00:41, 23 October 2015 | CHAIR GUESS TS CI IRC HF321G.LOG (file) | |
893 KB | 1 | |
| 00:41, 23 October 2015 | BOAT HF321G TS QST2 ANTI2 NEWGEOMETRY.LOG (file) | |
641 KB | 1 | |
| 00:40, 23 October 2015 | CHAIR GUESS TS DERIVATIVE CI OPT HF321G.LOG (file) | |
252 KB | 1 | |
| 00:39, 23 October 2015 | CHAIR GUESS TS CI OPTFREQ HF321G.LOG (file) | |
294 KB | 1 | |
| 00:38, 23 October 2015 | ALLYL FRAGMENT HF321G OPT.LOG (file) | |
78 KB | 1 | |
| 00:37, 23 October 2015 | FREQ ANTI2 B3YLP631G(D).LOG (file) | |
80 KB | 1 | |
| 00:35, 23 October 2015 | Anti2 reopt.LOG (file) | |
144 KB | 1 | |
| 00:33, 23 October 2015 | Anti2 3-21g.LOG (file) | |
152 KB | 1 | |
| 21:57, 22 October 2015 | Secondary orbital overlap LUMO+2 for exo.png (file) |  |
90 KB | 1 | |
| 21:53, 22 October 2015 | Secondary orbital overlap LUMO+2.png (file) |  |
80 KB | 1 | |
| 19:08, 22 October 2015 | Labels for exo ts.png (file) |  |
214 KB | 1 | |
| 19:08, 22 October 2015 | Labels for endo ts.png (file) |  |
214 KB | 1 | |
| 18:04, 22 October 2015 | HOMO for endo ts.png (file) |  |
232 KB | 1 | |
| 18:03, 22 October 2015 | LUMO for endo ts.png (file) |  |
209 KB | 1 | |
| 18:03, 22 October 2015 | Imaginary frequency for endo ts.gif (file) |  |
1.37 MB | 1 | |
| 18:03, 22 October 2015 | Optimized endo ts.mol (file) | |
2 KB | 2 | |
| 18:03, 22 October 2015 | Results summary for endo ts.png (file) |  |
14 KB | 2 | |
| 17:47, 22 October 2015 | LUMO for exo ts.png (file) |  |
165 KB | 1 | |
| 17:47, 22 October 2015 | HOMO for exo ts.png (file) |  |
162 KB | 1 | |
| 17:40, 22 October 2015 | Imaginary frequency for exo ts.gif (file) |  |
1.21 MB | 1 | |
| 17:37, 22 October 2015 | Labelled exo ts.png (file) |  |
94 KB | 1 | |
| 17:29, 22 October 2015 | Results summary for exo ts.png (file) |  |
13 KB | 1 | |
| 17:29, 22 October 2015 | Optimized exo ts.mol (file) | |
2 KB | 1 | |
| 17:24, 22 October 2015 | Results summary for endo product.png (file) |  |
13 KB | 1 | |
| 17:24, 22 October 2015 | Optimized endo product.mol (file) | |
2 KB | 1 |
